Oxalic Acid

Oxalic Acid

SCHEMBL11726428

CN(CCc1ccccc1)CCc1sc(=O)n(C)c1-c1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.38
SIGMAR1 Q99720 3/20 0.41
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
FDPS P14324 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TACR1 P25103 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11726696 0.72 SLC6A2 (0.45) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Demelverine SCHEMBL7778459 0.69 SIGMAR1 (0.63) SIGMAR1KMT2ATAAR1FDPSTHRA
Maleic Acid SCHEMBL11725036 0.68 LTB4R (0.39) SIGMAR1KMT2ATAAR1FDPSTHRA
Demelverine SCHEMBL1516521 0.67 SIGMAR1 (0.76) SIGMAR1TAAR1FDPSSLC6A2SLC6A4
SCHEMBL9768687 0.66 SIGMAR1 (0.73) SIGMAR1TAAR1FDPSSLC6A2SLC6A4
Oxalic Acid SCHEMBL8090960 0.66 SIGMAR1 (0.68) SIGMAR1THRATHRB
Hydrochloric Acid SCHEMBL9553898 0.64 LTA4H (0.57) SIGMAR1KMT2ATAAR1FDPSSLC6A3
Oxalic Acid SCHEMBL10689565 0.64 TAAR1 (0.49) SIGMAR1KMT2ATAAR1FDPSTHRA
SCHEMBL17931602 0.64 TAAR1 (0.55) SIGMAR1KMT2ATAAR1FDPSTHRA
SCHEMBL1520363 0.63 KMT2A (0.59) KMT2ATAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4061637-A CNS, CARDIOVASCULAR, ANTIINFLAMMATORY, ADRENOLYTIC, ANTIULCER ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1977-12-06 US disclosed